2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid

C10H13N3O3S — CID 80568637

IUPAC2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCN1CC(Nc2nc(C(=O)O)cs2)CCC1=O
InChIInChI=1S/C10H13N3O3S/c1-13-4-6(2-3-8(13)14)11-10-12-7(5-17-10)9(15)16/h5-6H,2-4H2,1H3,(H,11,12)(H,15,16)
InChIKeyIVYUNZIRBFHWKM-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.87
Rot. Bonds3

About 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid

2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568637) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568637
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCN1CC(Nc2nc(C(=O)O)cs2)CCC1=O
InChIInChI=1S/C10H13N3O3S/c1-13-4-6(2-3-8(13)14)11-10-12-7(5-17-10)9(15)16/h5-6H,2-4H2,1H3,(H,11,12)(H,15,16)
InChIKeyIVYUNZIRBFHWKM-UHFFFAOYSA-N
XLogP0.87
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 80568637) is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid is CN1CC(Nc2nc(C(=O)O)cs2)CCC1=O.
What is the InChIKey of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is IVYUNZIRBFHWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-13-4-6(2-3-8(13)14)11-10-12-7(5-17-10)9(15)16/h5-6H,2-4H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).